3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-benzoic acid Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-benzoic acid CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxybenzoic acid IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxybenzoic acid Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-benzoic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)CN2C=C(C=N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)CN2C=C(C=N2)Br

InChI

InChI=1S/C12H11BrN2O3/c1-18-11-3-2-8(12(16)17)4-9(11)6-15-7-10(13)5-14-15/h2-5,7H,6H2,1H3,(H,16,17)